2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H35N3O3S/c1-6-18(7-2)22-20(25)16-23-12-14-24(15-13-23)28(26,27)19-10-8-17(9-11-19)21(3,4)5/h8-11,18H,6-7,12-16H2,1-5H3,(H,22,25)/p+1